Table 3.

Chemical features enriched in the log₁₀POD ratio₉₅ < 0 set.

ChemoType Information		Appearance of the ToxPrint			Metrics			ChemoType Information		Appearance of theToxPrint			Metrics
Label	ToxPrint	Total	POD ratio SO	POD ratio ≤0	BA	OR	p-value	Label	ToxPrint	Total	POD ratio ≤ 0	POD ratio > 0	BA	OR	p-value
bond:P=O_phosphorus_oxo		18	12	6	0.62	22	7.4E-09	bond:P~N_generic		5	4	1	0.54	36	0.00055
bond:P=O_phosphate_thio		3	3	0	0.53	NA	0.0012	bond:C(=O)N_carbamate		20	6	14	0.54	3.9	0.014
bond:P~S_generic		27	13	14	0.62	10	3.5E-7	bond:CS_sulfide		53	15	38	0.61	4.3	0.00011

The enriched chemical structural features, as represented by ToxPrints, for the log₁₀POD ratio₉₅ < 0 set. BA = balanced accuracy; OR = odds ratio; POD ratio = log₁₀POD ratio₉₅.